General Property |
Molceule ID (DB) | EGIN0000269 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3d compound |
IUPAC Name | N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine |
Formula | C20H20BrN5 |
Mass | 410.31 |
Exact Mass | 409.0902083 |
Composition | C (58.54%), H (4.91%), Br (19.47%), N (17.07%) |
Atom Count | 46 |
PI | 12.42 |
Smiles | c12c(cc3c(c1)ccn3CCN(C)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C20H20BrN5/c1-25(2)8-9-26-7-6-14-10-17-18(12-19(14)26)22-13-23-20(17)24-16-5-3-4-15(21)11-16/h3-7
,10-13H,8-9H2,1-2H3,(H,22,23,24) |
InChIKey | PUGPTATVELXSCS-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 9154973 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5328287
|
Drug Bank Link | - |
ChemSpider Link | 4485452 |
ChEMBL Link | CHEMBL37373 |